![Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-5-methyl-](/api/spectrum/B0ChXSVZcZA/structure.png?h=300&w=458 "Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-5-methyl-")
| SpectraBase Compound ID | DxWzTgpUN5w |
|---|---|
| InChI | InChI=1S/C25H20O9/c1-10-4-15(22(28)16(5-10)23(29)30)19(13-6-11(2)20(26)17(8-13)24(31)32)14-7-12(3)21(27)18(9-14)25(33)34/h4-9,26,28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)/b19-14- |
| InChIKey | BAYIQEWBFGERAF-RGEXLXHISA-N |
| Mol Weight | 464.43 g/mol |
| Molecular Formula | C25H20O9 |
| Exact Mass | 464.110732 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | B0ChXSVZcZA |
|---|---|
| Name | Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-5-methyl- |
| CAS Registry Number | 3267-41-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H20O9 |
| InChI | InChI=1S/C25H20O9/c1-10-4-15(22(28)16(5-10)23(29)30)19(13-6-11(2)20(26)17(8-13)24(31)32)14-7-12(3)21(27)18(9-14)25(33)34/h4-9,26,28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)/b19-14- |
| InChIKey | BAYIQEWBFGERAF-RGEXLXHISA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |